General Information of the Compound
| Compound ID |
CP0532278
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| Compound Name |
CHEMBL4641403
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| Formula |
C30H35Cl2N5O4
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| Molecular Weight |
600.547
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| Canonical SMILES |
CCCCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@@H](CC1)C(=O)N1CCOCC1)-c1cc(Cl)c(O)c(Cl)c1
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| InChI |
InChI=1S/C30H35Cl2N5O4/c1-2-3-10-33-29(39)21-17-34-25-9-8-24(19-15-22(31)28(38)23(32)16-19)36-27(25)26(21)35-20-6-4-18(5-7-20)30(40)37-11-13-41-14-12-37/h8-9,15-18,20,38H,2-7,10-14H2,1H3,(H,33,39)(H,34,35)/t18-,20-
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| InChIKey |
CKPSJBWUOJBVAY-KESTWPANSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound